CID 9571002

Milameline

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CN1CCC=C(C1)/C=N/OC

InChI

InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+

InChIKey

YMMXHEYLRHNXAB-RMKNXTFCSA-N

Compound name

(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 22
References: 2064
Patents: 154.11061 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.11789	132.6
[M+Na]+	177.09983	139.2
[M-H]-	153.10333	135.8
[M+NH4]+	172.14443	152.9
[M+K]+	193.07377	138.7
[M+H-H2O]+	137.10787	125.7
[M+HCOO]-	199.10881	156.3
[M+CH3COO]-	213.12446	180.7
[M+Na-2H]-	175.08528	139.5
[M]+	154.11006	132.0
[M]-	154.11116	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe